3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine

C20H40N2O — CID 13205811

IUPAC3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine
SMILESCCN(CC)CC(C)CON=C1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O/c1-4-22(5-2)17-19(3)18-23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h19H,4-18H2,1-3H3
InChIKeySVLPIZNVKGEAET-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.64
Rot. Bonds7

About 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine

3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine (PubChem CID 13205811) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine
PubChem CID13205811
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine
SMILESCCN(CC)CC(C)CON=C1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O/c1-4-22(5-2)17-19(3)18-23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h19H,4-18H2,1-3H3
InChIKeySVLPIZNVKGEAET-UHFFFAOYSA-N
XLogP5.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine (CID 13205811) is 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine is CCN(CC)CC(C)CON=C1CCCCCCCCCCC1.
What is the InChIKey of 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine?
The InChIKey is SVLPIZNVKGEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-4-22(5-2)17-19(3)18-23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h19H,4-18H2,1-3H3.
What are the key properties of 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine?
3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine has a molecular weight of 324.55 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylideneamino)oxy-N,N-diethyl-2-methylpropan-1-amine is sourced from PubChem (CID 13205811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).